(1Z)-2-chloro-3,6-difluoro-N-(4-methylphenyl)sulfonylbenzenecarbohydrazonoyl chloride

C14H10Cl2F2N2O2S — CID 170607858

IUPAC(1Z)-2-chloro-3,6-difluoro-N-(4-methylphenyl)sulfonylbenzenecarbohydrazonoyl chloride
SMILESCc1ccc(S(=O)(=O)N/N=C(\Cl)c2c(F)ccc(F)c2Cl)cc1
InChIInChI=1S/C14H10Cl2F2N2O2S/c1-8-2-4-9(5-3-8)23(21,22)20-19-14(16)12-10(17)6-7-11(18)13(12)15/h2-7,20H,1H3/b19-14-
InChIKeySDFNJSJFOWLAPD-RGEXLXHISA-N
MW379.22 g/mol
LogP3.81
Rot. Bonds4

About (1Z)-2-chloro-3,6-difluoro-N-(4-methylphenyl)sulfonylbenzenecarbohydrazonoyl chloride

(1Z)-2-chloro-3,6-difluoro-N-(4-methylphenyl)sulfonylbenzenecarbohydrazonoyl chloride (PubChem CID 170607858) has the molecular formula C14H10Cl2F2N2O2S and a molecular weight of 379.22 g/mol. Its IUPAC name is (1Z)-2-chloro-3,6-difluoro-N-(4-methylphenyl)sulfonylbenzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name(1Z)-2-chloro-3,6-difluoro-N-(4-methylphenyl)sulfonylbenzenecarbohydrazonoyl chloride
PubChem CID170607858
Molecular FormulaC14H10Cl2F2N2O2S
Molecular Weight379.22 g/mol
Exact Mass377.98
IUPAC Name(1Z)-2-chloro-3,6-difluoro-N-(4-methylphenyl)sulfonylbenzenecarbohydrazonoyl chloride
SMILESCc1ccc(S(=O)(=O)N/N=C(\Cl)c2c(F)ccc(F)c2Cl)cc1
InChIInChI=1S/C14H10Cl2F2N2O2S/c1-8-2-4-9(5-3-8)23(21,22)20-19-14(16)12-10(17)6-7-11(18)13(12)15/h2-7,20H,1H3/b19-14-
InChIKeySDFNJSJFOWLAPD-RGEXLXHISA-N
XLogP3.81
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.22
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide
CID 139198570
N-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride
CID 57088982
N-[(E)-[[7-(5-chloropyrimidin-2-yl)-4,7-diazaspiro[2.5]octan-4-yl]-(2,6-difluorophenyl)methylidene]amino]-4-methylbenzenesulfonamide
CID 170607610
4-methyl-N-[(E)-1,1,1-trichloropropan-2-ylideneamino]benzenesulfonamide
CID 134897096
N-[(E)-1-(2-fluoro-5-iodophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 88570108
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
N-[(4-chloro-2-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 171035196
4-chloro-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzenesulfonamide
CID 135426139
4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide
CID 6287230
N-[(Z)-[(4E)-3-hydroxyimino-4-[(4-methylphenyl)sulfonylhydrazinylidene]pentan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 136734384
4-chloro-N-[(Z)-3-methylbutan-2-ylideneamino]benzenesulfonamide
CID 6187295
4-chloro-2,6-difluoro-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 170607681

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-chloro-3,6-difluoro-N-(4-methylphenyl)sulfonylbenzenecarbohydrazonoyl chloride?
The IUPAC name of (1Z)-2-chloro-3,6-difluoro-N-(4-methylphenyl)sulfonylbenzenecarbohydrazonoyl chloride (CID 170607858) is (1Z)-2-chloro-3,6-difluoro-N-(4-methylphenyl)sulfonylbenzenecarbohydrazonoyl chloride.
What is the SMILES notation for (1Z)-2-chloro-3,6-difluoro-N-(4-methylphenyl)sulfonylbenzenecarbohydrazonoyl chloride?
The canonical SMILES for (1Z)-2-chloro-3,6-difluoro-N-(4-methylphenyl)sulfonylbenzenecarbohydrazonoyl chloride is Cc1ccc(S(=O)(=O)N/N=C(\Cl)c2c(F)ccc(F)c2Cl)cc1.
What is the InChIKey of (1Z)-2-chloro-3,6-difluoro-N-(4-methylphenyl)sulfonylbenzenecarbohydrazonoyl chloride?
The InChIKey is SDFNJSJFOWLAPD-RGEXLXHISA-N. The full InChI is InChI=1S/C14H10Cl2F2N2O2S/c1-8-2-4-9(5-3-8)23(21,22)20-19-14(16)12-10(17)6-7-11(18)13(12)15/h2-7,20H,1H3/b19-14-.
What are the key properties of (1Z)-2-chloro-3,6-difluoro-N-(4-methylphenyl)sulfonylbenzenecarbohydrazonoyl chloride?
(1Z)-2-chloro-3,6-difluoro-N-(4-methylphenyl)sulfonylbenzenecarbohydrazonoyl chloride has a molecular weight of 379.22 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-chloro-3,6-difluoro-N-(4-methylphenyl)sulfonylbenzenecarbohydrazonoyl chloride is sourced from PubChem (CID 170607858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).